1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C20H32N4O — CID 31042688

IUPAC1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)N1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1
InChIInChI=1S/C20H32N4O/c1-16(2)23-12-7-19(8-13-23)24-10-5-18(6-11-24)20(25)22-15-17-4-3-9-21-14-17/h3-4,9,14,16,18-19H,5-8,10-13,15H2,1-2H3,(H,22,25)
InChIKeyZMDUSRZILKEUEF-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.28
Rot. Bonds5

About 1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 31042688) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID31042688
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)N1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1
InChIInChI=1S/C20H32N4O/c1-16(2)23-12-7-19(8-13-23)24-10-5-18(6-11-24)20(25)22-15-17-4-3-9-21-14-17/h3-4,9,14,16,18-19H,5-8,10-13,15H2,1-2H3,(H,22,25)
InChIKeyZMDUSRZILKEUEF-UHFFFAOYSA-N
XLogP2.28
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2R)-4-methylpentan-2-yl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 31017449
1-(1-pentan-3-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 25288397
1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 28641556
1-[1-(3-methylpentanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 45230403
1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 26403658
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 42517374
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
(3R)-1-[1-(4-methylpentyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95455862

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 31042688) is 1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is CC(C)N1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1.
What is the InChIKey of 1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZMDUSRZILKEUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-16(2)23-12-7-19(8-13-23)24-10-5-18(6-11-24)20(25)22-15-17-4-3-9-21-14-17/h3-4,9,14,16,18-19H,5-8,10-13,15H2,1-2H3,(H,22,25).
What are the key properties of 1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 31042688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).